3-(1,3-benzodioxol-5-yl)-4-(1H-indol-5-yl)-5-methyl-1,2-oxazole

C19H14N2O3 — CID 24761333

IUPAC3-(1,3-benzodioxol-5-yl)-4-(1H-indol-5-yl)-5-methyl-1,2-oxazole
SMILESCc1onc(-c2ccc3c(c2)OCO3)c1-c1ccc2[nH]ccc2c1
InChIInChI=1S/C19H14N2O3/c1-11-18(13-2-4-15-12(8-13)6-7-20-15)19(21-24-11)14-3-5-16-17(9-14)23-10-22-16/h2-9,20H,10H2,1H3
InChIKeyOIYCAVUCZLACAW-UHFFFAOYSA-N
MW318.33 g/mol
LogP4.53
Rot. Bonds2

About 3-(1,3-benzodioxol-5-yl)-4-(1H-indol-5-yl)-5-methyl-1,2-oxazole

3-(1,3-benzodioxol-5-yl)-4-(1H-indol-5-yl)-5-methyl-1,2-oxazole (PubChem CID 24761333) has the molecular formula C19H14N2O3 and a molecular weight of 318.33 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-4-(1H-indol-5-yl)-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-4-(1H-indol-5-yl)-5-methyl-1,2-oxazole
PubChem CID24761333
Molecular FormulaC19H14N2O3
Molecular Weight318.33 g/mol
Exact Mass318.10
IUPAC Name3-(1,3-benzodioxol-5-yl)-4-(1H-indol-5-yl)-5-methyl-1,2-oxazole
SMILESCc1onc(-c2ccc3c(c2)OCO3)c1-c1ccc2[nH]ccc2c1
InChIInChI=1S/C19H14N2O3/c1-11-18(13-2-4-15-12(8-13)6-7-20-15)19(21-24-11)14-3-5-16-17(9-14)23-10-22-16/h2-9,20H,10H2,1H3
InChIKeyOIYCAVUCZLACAW-UHFFFAOYSA-N
XLogP4.53
TPSA60.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-4-(1H-indol-5-yl)-5-methyl-1,2-oxazole?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-4-(1H-indol-5-yl)-5-methyl-1,2-oxazole (CID 24761333) is 3-(1,3-benzodioxol-5-yl)-4-(1H-indol-5-yl)-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-4-(1H-indol-5-yl)-5-methyl-1,2-oxazole?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-4-(1H-indol-5-yl)-5-methyl-1,2-oxazole is Cc1onc(-c2ccc3c(c2)OCO3)c1-c1ccc2[nH]ccc2c1.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-4-(1H-indol-5-yl)-5-methyl-1,2-oxazole?
The InChIKey is OIYCAVUCZLACAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O3/c1-11-18(13-2-4-15-12(8-13)6-7-20-15)19(21-24-11)14-3-5-16-17(9-14)23-10-22-16/h2-9,20H,10H2,1H3.
What are the key properties of 3-(1,3-benzodioxol-5-yl)-4-(1H-indol-5-yl)-5-methyl-1,2-oxazole?
3-(1,3-benzodioxol-5-yl)-4-(1H-indol-5-yl)-5-methyl-1,2-oxazole has a molecular weight of 318.33 g/mol, XLogP of 4.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-4-(1H-indol-5-yl)-5-methyl-1,2-oxazole is sourced from PubChem (CID 24761333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).